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Phenylalanine, N-[(phenylmethoxy)carbonyl]-.beta.-2-propynyl-, ethyl ester, threo-
SpectraBase Compound ID LI1Iy52sfBe
InChI InChI=1S/C22H23NO4/c1-3-11-19(18-14-9-6-10-15-18)20(21(24)26-4-2)23-22(25)27-16-17-12-7-5-8-13-17/h1,5-10,12-15,19-20H,4,11,16H2,2H3,(H,23,25)/t19-,20-/m1/s1
InChIKey DOKDHUHUCXDHCA-WOJBJXKFSA-N
Mol Weight 365.43 g/mol
Molecular Formula C22H23NO4
Exact Mass 365.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaKApMHXaLD
Name Phenylalanine, N-[(phenylmethoxy)carbonyl]-.beta.-2-propynyl-, ethyl ester, threo-
Comments Computed using HOSE algorithm
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Exact Mass 365.162708221 u
Formula C22H23NO4
InChI InChI=1S/C22H23NO4/c1-3-11-19(18-14-9-6-10-15-18)20(21(24)26-4-2)23-22(25)27-16-17-12-7-5-8-13-17/h1,5-10,12-15,19-20H,4,11,16H2,2H3,(H,23,25)/t19-,20-/m1/s1
InChIKey DOKDHUHUCXDHCA-WOJBJXKFSA-N
Molecular Weight 365.429 g/mol
SMILES [C@@](NC(=O)OCC1=CC=CC=C1)(C(=O)OCC)([C@@](C=1C=CC=CC1)(CC#C)[H])[H]